7-bromanyl-2-(2-dimethylaminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one; ethanedioate

Systemtic Name: 7-bromanyl-2-(2-dimethylaminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one; ethanedioate Openeye Name: 7-bromo-2-(2-dimethylaminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one; oxalate CAS Name: 7-bromo-2-(2-dimethylaminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one; oxalate IUPAC Name: 7-bromo-2-(2-dimethylaminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one; oxalate Traditional Name: 7-bromo-2-(2-dimethylaminoethyl)-4-methyl-2,3-dihydro-1,4-benzoxazepin-5-one; oxalate Formula: C16H19BrN2O6-2 MolecularWeight: 415.23586

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(OC2=C(C1=O)C=C(C=C2)Br)CCN(C)C.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN1CC(OC2=C(C1=O)C=C(C=C2)Br)CCN(C)C.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C14H19BrN2O2.C2H2O4/c1-16(2)7-6-11-9-17(3)14(18)12-8-10(15)4-5-13(12)19-11;3-1(4)2(5)6/h4-5,8,11H,6-7,9H2,1-3H3;(H,3,4)(H,5,6)/p-2